Name: Name:1H-1,4-Diazepine-1-carboxylic acid, hexahydro-7-methyl-, 1,1-dimethylethyl ester, (7R)-
Brand: Angene
SKU: AG001UGT
Rating: 90 (10 reviews)

1H-1,4-Diazepine-1-carboxylic acid, hexahydro-7-methyl-, 1,1-dimethylethyl ester, (7R)-

CAS No.:

1638743-92-6

Catalog Number:

AG001UGT

Molecular Formula:

C11H22N2O2

Molecular Weight:

214.3046

Catalog Number:

AG001UGT

Chemical Name:

1H-1,4-Diazepine-1-carboxylic acid, hexahydro-7-methyl-, 1,1-dimethylethyl ester, (7R)-

CAS Number:

1638743-92-6

Molecular Formula:

C11H22N2O2

Molecular Weight:

214.3046

IUPAC Name:

tert-butyl (7R)-7-methyl-1,4-diazepane-1-carboxylate

InChI:

InChI=1S/C11H22N2O2/c1-9-5-6-12-7-8-13(9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m1/s1

InChI Key:

DUYDMHWWVXLFDB-SECBINFHSA-N

SMILES:

C[C@@H]1CCNCCN1C(=O)OC(C)(C)C

Complexity:

223

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

214.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

214.309g/mol

Monoisotopic Mass:

214.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2